phenyl 4-[(E)-N'-nitrocarbamimidoyl]piperazine-1-carboxylate

Systemtic Name: phenyl 4-[(E)-N'-nitrocarbamimidoyl]piperazine-1-carboxylate Openeye Name: phenyl 4-[(E)-N'-nitrocarbamimidoyl]piperazine-1-carboxylate CAS Name: 4-[(E)-amino(nitroimino)methyl]-1-piperazinecarboxylic acid phenyl ester IUPAC Name: phenyl 4-[(E)-N'-nitrocarbamimidoyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-N'-nitroamidino]piperazine-1-carboxylic acid phenyl ester Formula: C12H15N5O4 MolecularWeight: 293.2786

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=N[N+](=O)[O-])N)C(=O)OC2=CC=CC=C2

Isomeric SMILES

C1CN(CCN1/C(=N/[N+](=O)[O-])/N)C(=O)OC2=CC=CC=C2

InChI

InChI=1S/C12H15N5O4/c13-11(14-17(19)20)15-6-8-16(9-7-15)12(18)21-10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,13,14)